Fast Fourier Transform-accelerated Interpolation-based t-SNE (FIt-SNE)

Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics

Materials for the 2021 PRACE Workshop @ SurfSARA

Implementation of Denoising Diffusion Probabilistic Model in Pytorch

Code for calculating Kirkwood Buff Integral

Tips on figure making, plus help with Inkscape and Matplotlib.

Convert coarse-grained protein structure to all-atom model

Codes for decent plots, evaluating clustering quality, using pathlib…

Code related to PLSR model for predicting small molecule partitioning in 2023 Kilgore et al.

Code used in Kilgore et al. NCB.

Repository for work on understanding the chemistry of phase-separation (condensates) in cellular organization.

Cloud-based molecular simulations for everyone

Brain-Inspired Modular Training (BIMT), a method for making neural networks more modular and interpretable.

Repository of my Space Science with Python YT tutorial series

Demo of various dimensionality reduction methods

Code and slides for the "Generating Sound with Neural Network" series on The Sound of AI Youtube channel.

Enabling energy landscape exploration of proteins

The fundamental package for scientific computing with Python.

Data Science, Machine Learning, and Deep Learning. Projects, Tutorials and Cheatsheets.

code for coarse-grained simulations of RNA in mixed salt solutions